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Free energy perturbation in lead optimization

Molecular Design · published 6 March 2015

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http://en.wikipedia.org/wiki/Free_energy_perturbation

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There's more to molecular design than making predictions Read at the source ↗

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http://dx.doi.org/10.1021/jm100112j

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http://dx.doi.org/10.1021/ja512751q

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http://pipeline.corante.com/archives/2015/02/23/is_fep_ready_for_the_world.php

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http://www.rsc.org/chemistryworld/2015/03/program-ready-weed-out-tough-drug-leads-ligand-receptor

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New year, new blog name... Read at the source ↗

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http://en.wikipedia.org/wiki/Matched_molecular_pair_analysis

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http://dx.doi.org/10.1002/3527603743.ch11

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http://dx.doi.org/10.1021/jm0605233

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http://dx.doi.org/10.1021/ci900450m

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http://dx.doi.org/10.1021/jm200452d

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http://dx.doi.org/10.1002/ddr.21045

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http://dx.doi.org/10.1016/j.bmcl.2008.12.003

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http://dx.doi.org/10.1007/s10822-013-9676-0

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http://pubs.acs.org/doi/suppl/10.1021/ja512751q

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http://en.wikipedia.org/wiki/Cysteine_protease

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http://en.wikipedia.org/wiki/Tyrosine_kinase

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http://en.wikipedia.org/wiki/ADME

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